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	hartrees
Energy at 0K	-23.540559
Energy at 298.15K	-23.546190
HF Energy	-23.540559
Nuclear repulsion energy	41.343565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3006	48.54
2	A'	3242	2929	59.30
3	A'	3199	2890	66.14
4	A'	3154	2849	69.30
5	A'	1889	1707	36.68
6	A'	1642	1484	24.41
7	A'	1611	1455	0.46
8	A'	1580	1427	9.79
9	A'	1358	1227	22.91
10	A'	1219	1102	0.80
11	A'	1045	944	18.50
12	A'	514	464	6.37
13	A"	3264	2948	45.37
14	A"	1615	1459	2.99
15	A"	1249	1129	2.83
16	A"	1185	1071	19.93
17	A"	744	672	0.60
18	A"	216	195	9.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.072	-0.431	0.000
N2	0.000	0.550	0.000
C3	1.182	0.136	0.000
H4	-0.716	-1.463	0.000
H5	-1.695	-0.273	0.876
H6	-1.695	-0.273	-0.876
H7	1.452	-0.920	0.000
H8	1.997	0.848	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4541	2.3249	1.0915	1.0861	1.0861	2.5715	3.3251
N2	1.4541		1.2527	2.1374	2.0779	2.0779	2.0666	2.0187
C3	2.3249	1.2527		2.4823	3.0352	3.0352	1.0899	1.0818
H4	1.0915	2.1374	2.4823		1.7727	1.7727	2.2357	3.5640
H5	1.0861	2.0779	3.0352	1.7727		1.7510	3.3305	3.9563
H6	1.0861	2.0779	3.0352	1.7727	1.7510		3.3305	3.9563
H7	2.5715	2.0666	1.0899	2.2357	3.3305	3.3305		1.8496
H8	3.3251	2.0187	1.0818	3.5640	3.9563	3.9563	1.8496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.201	N2	C1	H4	113.437
N2	C1	H5	108.910	N2	C1	H6	108.910
N2	C3	H7	123.673	N2	C3	H8	119.530
H4	C1	H5	108.989	H4	C1	H6	108.989
H5	C1	H6	107.435	H7	C3	H8	116.797

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)

using model chemistry: HF/CEP-121G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.390
2	N	-0.112
3	C	-0.288
4	H	0.130
5	H	0.175
6	H	0.175
7	H	0.137
8	H	0.173

	x	y	z	Total
	0.544	-1.710	0.000	1.794
CHELPG
AIM
ESP

	x	y	z
x	6.161	-0.055	0.000
y	-0.055	3.970	0.000
z	0.000	0.000	3.071

<r²>	42.171
(<r²>)^1/2	6.494

All results from a given calculation for CH2NCH3 (N-methylmethanimine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)